UCSF

ZINC33795041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 9.06 -65.4 1 8 -1 111 426.474 6
Lo Low (pH 4.5-6) -0.67 9.34 -73.92 2 8 0 111 427.482 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )